SCHEMBL7475928

SCHEMBL7475928

CCCC(NC(=O)c1ccc2sc3ccccc3c2c1)N1CCN(c2ccccc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.38
ABCB1 P08183 5/20 0.37
BCHE P06276 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
SCN9A Q15858 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7650535 0.99 MAPT (0.39) MAPTUSP2ALDH1A1ALOX15MAPK1
SCHEMBL7988073 0.94 TP53 (0.43) MAPTALDH1A1NPSR1DRD2ADRA1A
Hydrochloric Acid SCHEMBL7655743 0.93 TP53 (0.42) MAPTALDH1A1NPSR1DRD2ADRA1A
SCHEMBL7476712 0.91 DRD2 (0.40) MAPTMAPK1NPSR1DRD2ADRA1A
Hydrochloric Acid SCHEMBL7481005 0.90 DRD2 (0.39) MAPTMAPK1NPSR1DRD2ADRA1A
SCHEMBL7422472 0.90 DRD2 (0.43) DRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL7477971 0.89 DRD2 (0.42) DRD2DRD3CYP1A2
SCHEMBL7539113 0.89 DRD3 (0.39) MAPTMAPK1NPSR1DRD2DRD3
Hydrochloric Acid SCHEMBL7475220 0.88 HTR2A (0.39) MAPTMAPK1NPSR1DRD2DRD3
SCHEMBL7650118 0.88 DRD2 (0.43) DRD2ADRA1ADRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221869-B1 N-aminoalkyldibenzothiophenecarboxamides new dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2001-04-24 US claimed
EP-0888332-A1 N-AMINOALKYLDIBENZOTHIOPHENECARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034889-A1 N-AMINOALKYLDIBENZOTHIOPHENECARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 WO disclosed